N-Iodosaccharin
TL;DR: N-Iodosaccharin (CAS 86340-94-5) is a chemical compound with molecular formula C7H4INO3S and molecular weight 308.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: N-Iodosaccharin, N-Iodosaccharin [MI], NISac, 2-iodo-1,1-dioxo-1,2-benzothiazol-3-one, 1,2-Benzisothiazol-3(2H)-one, 2-iodo-, 1,1-dioxide
| Molecular Formula | C7H4INO3S |
|---|---|
| Molecular Weight | 308.90 g/mol |
| LogP | 1.1811 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.89566 |
| Heavy Atoms | 13 |
| Complexity | 482.26596 |
Chemical Identifiers
| CAS Number | 86340-94-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)I |
Product Overview
N-Iodosaccharin (CAS 86340-94-5), with molecular formula C7H4INO3S and molecular weight 308.90 g/mol. IUPAC: 2-iodo-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of N-Iodosaccharin
Property Insights of N-Iodosaccharin
The XLogP value of 1.1811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Iodosaccharin. With a topological polar surface area (TPSA) of 54.45 Ų, N-Iodosaccharin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Iodosaccharin has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Iodosaccharin?
The CAS number of N-Iodosaccharin is 86340-94-5.
What is the molecular formula of N-Iodosaccharin?
The molecular formula of N-Iodosaccharin is C7H4INO3S.
What is the molecular weight of N-Iodosaccharin?
The molecular weight of N-Iodosaccharin is 308.90 g/mol.
Where can I buy N-Iodosaccharin?
You can request a quote for N-Iodosaccharin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Iodosaccharin?
Yes, KEHONG BIO provides custom synthesis services for N-Iodosaccharin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.